6-chloranyl-2-(4-methoxyphenyl)sulfanyl-3-nitro-benzoic acid

Systemtic Name: 6-chloranyl-2-(4-methoxyphenyl)sulfanyl-3-nitro-benzoic acid Openeye Name: 6-chloro-2-(4-methoxyphenyl)sulfanyl-3-nitro-benzoic acid CAS Name: 6-chloro-2-[(4-methoxyphenyl)thio]-3-nitrobenzoic acid IUPAC Name: 6-chloro-2-(4-methoxyphenyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 6-chloro-2-[(4-methoxyphenyl)thio]-3-nitro-benzoic acid Formula: C14H10ClNO5S MolecularWeight: 339.7509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H10ClNO5S/c1-21-8-2-4-9(5-3-8)22-13-11(16(19)20)7-6-10(15)12(13)14(17)18/h2-7H,1H3,(H,17,18)